(2R,5R)-5-(methylamino)hexan-2-ol

C7H17NO — CID 148896178

IUPAC(2R,5R)-5-(methylamino)hexan-2-ol
SMILESCN[C@H](C)CC[C@@H](C)O
InChIInChI=1S/C7H17NO/c1-6(8-3)4-5-7(2)9/h6-9H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyPFXHJCSSQYOETM-RNFRBKRXSA-N
MW131.22 g/mol
LogP0.76
Rot. Bonds4

About (2R,5R)-5-(methylamino)hexan-2-ol

(2R,5R)-5-(methylamino)hexan-2-ol (PubChem CID 148896178) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2R,5R)-5-(methylamino)hexan-2-ol.

Molecular Properties

Compound Name(2R,5R)-5-(methylamino)hexan-2-ol
PubChem CID148896178
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2R,5R)-5-(methylamino)hexan-2-ol
SMILESCN[C@H](C)CC[C@@H](C)O
InChIInChI=1S/C7H17NO/c1-6(8-3)4-5-7(2)9/h6-9H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyPFXHJCSSQYOETM-RNFRBKRXSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;hexane-2,5-diol
CID 143963822
2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine
CID 89305259
pentadecane-2,5,8,11,14-pentol
CID 175190041
N-methylpentan-2-amine;hydrochloride
CID 42919600
ethane;(2S)-N-methylpentan-2-amine
CID 143603159
N,5-dimethylhept-6-en-2-amine
CID 138518123
ethane;5-methylhexan-2-ol
CID 144624886
4-(methylamino)butan-2-ol;hydrochloride
CID 135392389
(2R)-5-chloro-N-methylpentan-2-amine
CID 129120324
(2S)-2-(methylamino)propan-1-ol;hydrochloride
CID 46942002
2-(methylamino)propan-1-ol;hydrochloride
CID 75245213
(5R)-5-aminohexan-2-ol
CID 144692574

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(methylamino)hexan-2-ol?
The IUPAC name of (2R,5R)-5-(methylamino)hexan-2-ol (CID 148896178) is (2R,5R)-5-(methylamino)hexan-2-ol.
What is the SMILES notation for (2R,5R)-5-(methylamino)hexan-2-ol?
The canonical SMILES for (2R,5R)-5-(methylamino)hexan-2-ol is CN[C@H](C)CC[C@@H](C)O.
What is the InChIKey of (2R,5R)-5-(methylamino)hexan-2-ol?
The InChIKey is PFXHJCSSQYOETM-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H17NO/c1-6(8-3)4-5-7(2)9/h6-9H,4-5H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of (2R,5R)-5-(methylamino)hexan-2-ol?
(2R,5R)-5-(methylamino)hexan-2-ol has a molecular weight of 131.22 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(methylamino)hexan-2-ol is sourced from PubChem (CID 148896178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).